1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine

C29H33N7 — CID 3229177

IUPAC1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(C(c3ccccn3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C29H33N7/c1-3-11-23(12-4-1)27(24-13-5-2-6-14-24)34-19-21-35(22-20-34)28(26-17-9-10-18-30-26)29-31-32-33-36(29)25-15-7-8-16-25/h1-6,9-14,17-18,25,27-28H,7-8,15-16,19-22H2
InChIKeySIWYSFHQVUAXRH-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.68
Rot. Bonds7

About 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine

1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine (PubChem CID 3229177) has the molecular formula C29H33N7 and a molecular weight of 479.63 g/mol. Its IUPAC name is 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine
PubChem CID3229177
Molecular FormulaC29H33N7
Molecular Weight479.63 g/mol
Exact Mass479.28
IUPAC Name1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine
SMILESc1ccc(C(c2ccccc2)N2CCN(C(c3ccccn3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C29H33N7/c1-3-11-23(12-4-1)27(24-13-5-2-6-14-24)34-19-21-35(22-20-34)28(26-17-9-10-18-30-26)29-31-32-33-36(29)25-15-7-8-16-25/h1-6,9-14,17-18,25,27-28H,7-8,15-16,19-22H2
InChIKeySIWYSFHQVUAXRH-UHFFFAOYSA-N
XLogP4.68
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine (CID 3229177) is 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine is c1ccc(C(c2ccccc2)N2CCN(C(c3ccccn3)c3nnnn3C3CCCC3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine?
The InChIKey is SIWYSFHQVUAXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7/c1-3-11-23(12-4-1)27(24-13-5-2-6-14-24)34-19-21-35(22-20-34)28(26-17-9-10-18-30-26)29-31-32-33-36(29)25-15-7-8-16-25/h1-6,9-14,17-18,25,27-28H,7-8,15-16,19-22H2.
What are the key properties of 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine?
1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine has a molecular weight of 479.63 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]piperazine is sourced from PubChem (CID 3229177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).